1-cyclopropyl-N-methyl-N-(4-methylcycloheptyl)ethane-1,2-diamine

C14H28N2 — CID 116651214

IUPAC1-cyclopropyl-N-methyl-N-(4-methylcycloheptyl)ethane-1,2-diamine
SMILESCC1CCCC(N(C)C(CN)C2CC2)CC1
InChIInChI=1S/C14H28N2/c1-11-4-3-5-13(9-6-11)16(2)14(10-15)12-7-8-12/h11-14H,3-10,15H2,1-2H3
InChIKeyHKAWFGNLEWDXLZ-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.62
Rot. Bonds4

About 1-cyclopropyl-N-methyl-N-(4-methylcycloheptyl)ethane-1,2-diamine

1-cyclopropyl-N-methyl-N-(4-methylcycloheptyl)ethane-1,2-diamine (PubChem CID 116651214) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 1-cyclopropyl-N-methyl-N-(4-methylcycloheptyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclopropyl-N-methyl-N-(4-methylcycloheptyl)ethane-1,2-diamine
PubChem CID116651214
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name1-cyclopropyl-N-methyl-N-(4-methylcycloheptyl)ethane-1,2-diamine
SMILESCC1CCCC(N(C)C(CN)C2CC2)CC1
InChIInChI=1S/C14H28N2/c1-11-4-3-5-13(9-6-11)16(2)14(10-15)12-7-8-12/h11-14H,3-10,15H2,1-2H3
InChIKeyHKAWFGNLEWDXLZ-UHFFFAOYSA-N
XLogP2.62
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-methyl-N-(4-methylcycloheptyl)ethane-1,2-diamine?
The IUPAC name of 1-cyclopropyl-N-methyl-N-(4-methylcycloheptyl)ethane-1,2-diamine (CID 116651214) is 1-cyclopropyl-N-methyl-N-(4-methylcycloheptyl)ethane-1,2-diamine.
What is the SMILES notation for 1-cyclopropyl-N-methyl-N-(4-methylcycloheptyl)ethane-1,2-diamine?
The canonical SMILES for 1-cyclopropyl-N-methyl-N-(4-methylcycloheptyl)ethane-1,2-diamine is CC1CCCC(N(C)C(CN)C2CC2)CC1.
What is the InChIKey of 1-cyclopropyl-N-methyl-N-(4-methylcycloheptyl)ethane-1,2-diamine?
The InChIKey is HKAWFGNLEWDXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-11-4-3-5-13(9-6-11)16(2)14(10-15)12-7-8-12/h11-14H,3-10,15H2,1-2H3.
What are the key properties of 1-cyclopropyl-N-methyl-N-(4-methylcycloheptyl)ethane-1,2-diamine?
1-cyclopropyl-N-methyl-N-(4-methylcycloheptyl)ethane-1,2-diamine has a molecular weight of 224.39 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-methyl-N-(4-methylcycloheptyl)ethane-1,2-diamine is sourced from PubChem (CID 116651214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).